5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid

C15H22N2O3 — CID 82846293

IUPAC5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(6-5-9-15(19)20)17-14(18)10-13(16)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyIPMSYNPUGHAITG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.84
Rot. Bonds8

About 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid

5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid (PubChem CID 82846293) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
PubChem CID82846293
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(6-5-9-15(19)20)17-14(18)10-13(16)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyIPMSYNPUGHAITG-UHFFFAOYSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 79010019

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid?
The IUPAC name of 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid (CID 82846293) is 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid?
The canonical SMILES for 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid?
The InChIKey is IPMSYNPUGHAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(6-5-9-15(19)20)17-14(18)10-13(16)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid?
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid is sourced from PubChem (CID 82846293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).